SCHEMBL6424876

SCHEMBL6424876

CC(C)(C)[Si](C)(C)OCc1ccc(Oc2cccc(Br)c2)cc1.Oc1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.42
APP P05067 1/20 0.37
POLB P06746 1/20 0.36
PPARG P37231 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
F2 P00734 1/20 0.34
MAOA P21397 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14282994 0.94 MAOB (0.47) MAOBPPARGSMN1; SMN2FNTAFNTB
SCHEMBL722684 0.76 IDO1 (0.56) MAOBMAOA
SCHEMBL9849151 0.76 GABRG2 (0.41) MAOBSMN1; SMN2
SCHEMBL840465 0.74 GABRA1 (0.45)
SCHEMBL481257 0.73 IDO1 (0.50) MAOBAPPSMN1; SMN2
SCHEMBL6156781 0.73 CHRNA7 (0.43) MAOBPPARGMAOA
SCHEMBL3825220 0.72 CYP2A6 (0.37) MAOBMAOA
SCHEMBL6420311 0.72 APP (0.47) APPPPARG
SCHEMBL4496052 0.71 PREP (0.48) APP
SCHEMBL906834 0.71 IDO1 (0.48)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479578-A1 Mass defect labeling for the determination of oligomer sequences Target Discovery, Inc. (US) 2012-07-25 EP disclosed
US-6962818-B2 Mass defect labeling for the determination of oligomer sequences TARGET DISCOVERY (US) 2005-11-08 US disclosed